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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 11:57, 6 December 2011 (Saving copy of the {{chembox}} taken from revid 444072573 of page Pterulone for the Chem/Drugbox validation project (updated: 'ChEMBL', 'StdInChI').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 11:57, 6 December 2011 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 444072573 of page Pterulone for the Chem/Drugbox validation project (updated: 'ChEMBL', 'StdInChI').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 444072573 of page Pterulone with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
IUPAC name 1-ethanone
Identifiers
3D model (JSmol)
ChEMBL
ChemSpider
PubChem CID
InChI
  • InChI=1S/C13H11ClO2/c1-9(15)11-4-5-13-12(6-11)3-2-10(7-14)8-16-13/h2-7H,8H2,1H3/b10-7-Key: QEWSARCWWQPUSM-YFHOEESVSA-N
  • InChI=1S/C13H11ClO2/c1-9(15)11-4-5-13-12(6-11)3-2-10(7-14)8-16-13/h2-7H,8H2,1H3/b10-7-
  • InChI=1S/C13H11ClO2/c1-9(15)11-4-5-13-12(6-11)3-2-10(7-14)8-16-13/h2-7H,8H2,1H3/b10-7-Key: QEWSARCWWQPUSM-YFHOEESVSA-N
SMILES
  • O=C(c2ccc1OCC(/C=C\c1c2)=Cl)C
Properties
Chemical formula C13H11ClO2
Molar mass 234.678
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Infobox references
Chemical compound